|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
53
Total Number of Articles : 20
|
| PubChem |
11053
|
| Molecular Formula |
C20H13N3O3 |
| SMILES |
C1=CC2=C(C(=O)N=C2C=C1)C3=C(NC(=C3)C4=CNC5=C4C=C(C=C5)O)O |
| InChI |
InChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H |
| synonyms |
- Violacein
- 548-54-9
- QJH0DSQ3SG
- 2-INDOLINONE, 3-(2-(5-HYDROXYINDOL-3-YL)-5-OXO-2-PYRROLIN-4-YLIDENE)-
- (E)-3-(5-(5-Hydroxy-1H-indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene)indolin-2-one
- (3E)-3-[5-(5-hydroxy-1H-indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]-1,3-dihydro-2H-indol-2-one
- UNII-QJH0DSQ3SG
- BRN 0049923
- (3Z)-violacein
- VIOLACEIN [MI]
- 3-(2-(5-Hydroxyindol-3-yl)-5-oxo-2-pyrrolin-4-ylidene)-2-indolinone
- 4-26-00-00715 (Beilstein Handbook Reference)
- SCHEMBL151999
- CHEMBL1652263
- SCHEMBL15263185
- SCHEMBL15263187
- SCHEMBL24332448
- CHEBI:131914
- DTXSID001028415
- AAA54854
- Oxindole, 3-(2-(5-hydroxyindol-3-yl)-5-oxo-2-pyrrolin-4-ylidene)-
- AKOS040754806
- Violacein from Janthinobacterium lividum
- (3E)-3-(1,2-dihydro-5-(5-hydroxy-1H-indol-3-yl)-2-oxo-3H-pyrrol-3-ylidene)-1,3-dihydro-2H-indol-2-one
- DA-59016
- HY-119809
- CS-0078057
- NS00123417
- C21136
- Q4013798
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|
| Properties |
| Property |
Value |
| MW |
343.3 g/mol |
| HBD |
4 |
| HBA |
3 |
| Rotatable Bond Count |
2 |
| Exact Mass |
343.09569129 g/mol |
| Monoisotopic Mass |
343.09569129 g/mol |
| Heavy Atom Count |
26 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
753 |
| xlogp |
2.7 |
| Topological Polar Surface Area |
101 |
|